methyl spiro[2.6]nonane-2-carboxylate

C11H18O2 — CID 144510342

IUPACmethyl spiro[2.6]nonane-2-carboxylate
SMILESCOC(=O)C1CC12CCCCCC2
InChIInChI=1S/C11H18O2/c1-13-10(12)9-8-11(9)6-4-2-3-5-7-11/h9H,2-8H2,1H3
InChIKeyOOZXEGBQWLZSAR-UHFFFAOYSA-N
MW182.26 g/mol
LogP2.52
Rot. Bonds1

About methyl spiro[2.6]nonane-2-carboxylate

methyl spiro[2.6]nonane-2-carboxylate (PubChem CID 144510342) has the molecular formula C11H18O2 and a molecular weight of 182.26 g/mol. Its IUPAC name is methyl spiro[2.6]nonane-2-carboxylate.

Molecular Properties

Compound Namemethyl spiro[2.6]nonane-2-carboxylate
PubChem CID144510342
Molecular FormulaC11H18O2
Molecular Weight182.26 g/mol
Exact Mass182.13
IUPAC Namemethyl spiro[2.6]nonane-2-carboxylate
SMILESCOC(=O)C1CC12CCCCCC2
InChIInChI=1S/C11H18O2/c1-13-10(12)9-8-11(9)6-4-2-3-5-7-11/h9H,2-8H2,1H3
InChIKeyOOZXEGBQWLZSAR-UHFFFAOYSA-N
XLogP2.52
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.26
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze methyl spiro[2.6]nonane-2-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl (4S)-2-azaspiro[4.4]nonane-4-carboxylate
CID 129381539
(2R)-spiro[2.5]octane-2-carboxylic acid
CID 10419388
methyl tricyclo[4.2.2.01,6]decane-7-carboxylate
CID 12702214
methyl 6-azaspiro[3.4]octane-8-carboxylate
CID 86811534
methyl 6-(2-pyrrolidin-1-ylethylsulfonyl)-6-azaspiro[2.5]octane-2-carboxylate
CID 167783712
methyl 8-hydroxyspiro[2.5]octane-2-carboxylate
CID 105441117
methyl (1R)-hexaspiro[2.0.34.0.38.0.312.0.316.0.320.03]tricosane-1-carboxylate
CID 139120592
N-methoxy-N-methylspiro[2.3]hexane-2-carboxamide
CID 130725563
trans-methyl (1R,2R)-2-amino-2-methylcyclohexane-1-carboxylate
CID 96839903
methyl 6-oxa-1-azaspiro[4.5]decane-4-carboxylate
CID 134920090
(2R)-N-[[1-(methoxymethyl)cyclopentyl]methyl]spiro[2.3]hexane-2-carboxamide
CID 125443450
N-[[1-(methoxymethyl)cyclopentyl]methyl]spiro[2.3]hexane-2-carboxamide
CID 122566407

Frequently Asked Questions

What is the IUPAC name of methyl spiro[2.6]nonane-2-carboxylate?
The IUPAC name of methyl spiro[2.6]nonane-2-carboxylate (CID 144510342) is methyl spiro[2.6]nonane-2-carboxylate.
What is the SMILES notation for methyl spiro[2.6]nonane-2-carboxylate?
The canonical SMILES for methyl spiro[2.6]nonane-2-carboxylate is COC(=O)C1CC12CCCCCC2.
What is the InChIKey of methyl spiro[2.6]nonane-2-carboxylate?
The InChIKey is OOZXEGBQWLZSAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O2/c1-13-10(12)9-8-11(9)6-4-2-3-5-7-11/h9H,2-8H2,1H3.
What are the key properties of methyl spiro[2.6]nonane-2-carboxylate?
methyl spiro[2.6]nonane-2-carboxylate has a molecular weight of 182.26 g/mol, XLogP of 2.52, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl spiro[2.6]nonane-2-carboxylate is sourced from PubChem (CID 144510342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).